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BDBM86887 5-(3,5-dimethylpiperidin-1-ylsulfonyl)-3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzofuran-2-carboxamide::CAS_6621153::NSC_6621153

SMILES: CC1CC(C)CN(C1)S(=O)(=O)c1ccc2oc(C(=O)NC3CCCc4ccccc34)c(C)c2c1

InChI Key: InChIKey=KJWBLKINPVCYRA-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 86887   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM86887
PNG
(5-(3,5-dimethylpiperidin-1-ylsulfonyl)-3-methyl-N-...)
Show SMILES CC1CC(C)CN(C1)S(=O)(=O)c1ccc2oc(C(=O)NC3CCCc4ccccc34)c(C)c2c1
Show InChI InChI=1S/C27H32N2O4S/c1-17-13-18(2)16-29(15-17)34(31,32)21-11-12-25-23(14-21)19(3)26(33-25)27(30)28-24-10-6-8-20-7-4-5-9-22(20)24/h4-5,7,9,11-12,14,17-18,24H,6,8,10,13,15-16H2,1-3H3,(H,28,30)
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PC sid
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Similars

Article
PubMed
5n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 1199-206 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.133
BindingDB Entry DOI: 10.7270/Q20000N4
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM86887
PNG
(5-(3,5-dimethylpiperidin-1-ylsulfonyl)-3-methyl-N-...)
Show SMILES CC1CC(C)CN(C1)S(=O)(=O)c1ccc2oc(C(=O)NC3CCCc4ccccc34)c(C)c2c1
Show InChI InChI=1S/C27H32N2O4S/c1-17-13-18(2)16-29(15-17)34(31,32)21-11-12-25-23(14-21)19(3)26(33-25)27(30)28-24-10-6-8-20-7-4-5-9-22(20)24/h4-5,7,9,11-12,14,17-18,24H,6,8,10,13,15-16H2,1-3H3,(H,28,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 1199-206 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.133
BindingDB Entry DOI: 10.7270/Q20000N4
More data for this
Ligand-Target Pair